Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSDFLNKRFWKYRGKRIRPYMRNNVKLAGAIIFVPVFLLSMFLFWREQLIHFDLSQVIKNFEWNVPLIIKSVLCSVLIAVGSIVASYFLLFDSYKKILHRQKIAKMIFSNKFYEKENVKVRKIFSNETDSKEKITYFPRMYYQVKNNHIYIRIAMDMSRFQNRFLDLGKDLENGLFCDLVDKQMEEGFVCFKLLYDVKKNRISIDDAVAENGVLPLMKHISWQFDKLPHMLIAGGTGGGKTY----FMLTIIKACVGLGADVRILDPKNADLADLEEVLPK---KVYSQKNGILMCLRKSVDGMMERMDEMKQMS---------NYKTGENYAYLGLKPVF-------------------IFFDEYVAFMDLLDMKERNEALSYMKQLVMLGRQAGYFLVLGAQRPDAKYLADGIRDQFSFRVSLGLMSDTGYGMMFGDVEKAYVNKKETGRGYANVGTGSVLEFYSPIVPKGYDFMSSIKNALVGVEGAQATAVASGSVSDQTASGEGVSEANG 2IUU Chain:A ((205-411)) -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RPIITDLAKMPHLLVAGTTGSGKSVGVNAMLLSILFKSTPSEARLIMIDPKMLELS-IYEGIPHLLCPVVTDMKEAANALRWSVAEMERRYRLMAAMGVRNLAGFNRKVKDAEEAGTPLTDPLFRRESPDDEPPQLSTLPTIVVVVDEFADMMMIVG-KKVEELIARIAQ---KARAAGIHLILATQRPSVDVITGLIKANIPTRIAFQVSS--------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2IUU.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 699 -106172 -151.89 -617.28 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : -151.89 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.342

(partial model without unconserved sides chains): PDB file : Tito_2IUU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2IUU-query.scw PDB file : Tito_Scwrl_2IUU.pdb: